[ { "property-id" "tag:staff@noreply.openkim.org,2014-05-21:property/elastic-constants-isothermal-cubic-crystal-npt" "instance-id" 1 "short-name" { "source-value" [ "fcc" ] } "species" { "source-value" [ "B" "B" "B" "B" ] } "a" { "source-value" 2.790480747818947 "source-unit" "angstrom" "si-unit" "m" "si-value" 2.790480747818947e-10 } "basis-atom-coordinates" { "source-value" [ [ 0.0 0.0 0.0 ] [ 0.0 0.5 0.5 ] [ 0.5 0.0 0.5 ] [ 0.5 0.5 0.0 ] ] } "space-group" { "source-value" "Fm-3m" } "temperature" { "source-value" 0 "source-unit" "K" "si-unit" "K" "si-value" 0.0 } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" "si-unit" "kg / m s^2" "si-value" [ 0.0 0.0 0.0 0.0 0.0 0.0 ] } "c11" { "source-value" 544.0636552692756 "source-unit" "GPa" "source-std-uncert-value" 0.007335930725694379 "si-unit" "kg / m s^2" "si-value" 544063655269.2756 } "c12" { "source-value" 272.03334569498196 "source-unit" "GPa" "source-std-uncert-value" 0.005187286362139919 "si-unit" "kg / m s^2" "si-value" 272033345694.982 } "c44" { "source-value" 272.0393578540488 "source-unit" "GPa" "source-std-uncert-value" 0.0018339826816451642 "si-unit" "kg / m s^2" "si-value" 272039357854.0488 } "excess" { "source-value" 3.0219974670830183e-05 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431809132944 "si-unit" "kg / m s^2" "si-value" 30219.97467083018 } } { "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/bulk-modulus-isothermal-cubic-crystal-npt" "instance-id" 2 "short-name" { "source-value" [ "fcc" ] } "species" { "source-value" [ "B" "B" "B" "B" ] } "a" { "source-value" 2.790480747818947 "source-unit" "angstrom" "si-unit" "m" "si-value" 2.790480747818947e-10 } "basis-atom-coordinates" { "source-value" [ [ 0.0 0.0 0.0 ] [ 0.0 0.5 0.5 ] [ 0.5 0.0 0.5 ] [ 0.5 0.5 0.0 ] ] } "space-group" { "source-value" "Fm-3m" } "temperature" { "source-value" 0 "source-unit" "K" "si-unit" "K" "si-value" 0.0 } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" "si-unit" "kg / m s^2" "si-value" [ 0.0 0.0 0.0 0.0 0.0 0.0 ] } "isothermal-bulk-modulus" { "source-value" 362.7101155530798 "source-unit" "GPa" "source-std-uncert-value" 0.004235401579065543 "si-unit" "kg / m s^2" "si-value" 362710115553.0798 } } ]